Migration of fluorine in fluorapatite - a concerted mechanism
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DOI
Molecular dynamics simulations, used in conjunction with a set of classical pair potentials, have been employed to investigate the transport of fluorine in fluorapatite. A new coupled interstitial migration mechanism is identified with a migration activation energy of 0.55 eV in the temperature range 1100-1500 K. A full description of the mechanism is provided, which differs markedly from previously proposed vacancy mechanisms for fluorine transport.
| Original language | Unknown |
|---|---|
| Pages (from-to) | 6097-6103 |
| Number of pages | 7 |
| Journal | Journal of Materials Chemistry |
| Volume | 22 |
| Issue number | 13 |
| DOIs | |
| Publication status | Published - 2012 |
| Externally published | Yes |